(6S)-6-ethenyl-5-methyl-5-azaspiro[2.4]heptane

C9H15N — CID 145013341

IUPAC(6S)-6-ethenyl-5-methyl-5-azaspiro[2.4]heptane
SMILESC=C[C@@H]1CC2(CC2)CN1C
InChIInChI=1S/C9H15N/c1-3-8-6-9(4-5-9)7-10(8)2/h3,8H,1,4-7H2,2H3/t8-/m1/s1
InChIKeyWLBKWTITVDKWCN-MRVPVSSYSA-N
MW137.23 g/mol
LogP1.66
Rot. Bonds1

About (6S)-6-ethenyl-5-methyl-5-azaspiro[2.4]heptane

(6S)-6-ethenyl-5-methyl-5-azaspiro[2.4]heptane (PubChem CID 145013341) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (6S)-6-ethenyl-5-methyl-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name(6S)-6-ethenyl-5-methyl-5-azaspiro[2.4]heptane
PubChem CID145013341
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(6S)-6-ethenyl-5-methyl-5-azaspiro[2.4]heptane
SMILESC=C[C@@H]1CC2(CC2)CN1C
InChIInChI=1S/C9H15N/c1-3-8-6-9(4-5-9)7-10(8)2/h3,8H,1,4-7H2,2H3/t8-/m1/s1
InChIKeyWLBKWTITVDKWCN-MRVPVSSYSA-N
XLogP1.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-ethenyl-5-methyl-5-azaspiro[2.4]heptane?
The IUPAC name of (6S)-6-ethenyl-5-methyl-5-azaspiro[2.4]heptane (CID 145013341) is (6S)-6-ethenyl-5-methyl-5-azaspiro[2.4]heptane.
What is the SMILES notation for (6S)-6-ethenyl-5-methyl-5-azaspiro[2.4]heptane?
The canonical SMILES for (6S)-6-ethenyl-5-methyl-5-azaspiro[2.4]heptane is C=C[C@@H]1CC2(CC2)CN1C.
What is the InChIKey of (6S)-6-ethenyl-5-methyl-5-azaspiro[2.4]heptane?
The InChIKey is WLBKWTITVDKWCN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-8-6-9(4-5-9)7-10(8)2/h3,8H,1,4-7H2,2H3/t8-/m1/s1.
What are the key properties of (6S)-6-ethenyl-5-methyl-5-azaspiro[2.4]heptane?
(6S)-6-ethenyl-5-methyl-5-azaspiro[2.4]heptane has a molecular weight of 137.23 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-ethenyl-5-methyl-5-azaspiro[2.4]heptane is sourced from PubChem (CID 145013341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).